N-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide

C25H21ClN2O2 — CID 122390002

IUPACN-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide
SMILESCOc1ccc(Cc2cccc(C)c2C(=O)Nc2ccc(Cl)c3cccnc23)cc1
InChIInChI=1S/C25H21ClN2O2/c1-16-5-3-6-18(15-17-8-10-19(30-2)11-9-17)23(16)25(29)28-22-13-12-21(26)20-7-4-14-27-24(20)22/h3-14H,15H2,1-2H3,(H,28,29)
InChIKeyZEGIJNHBZJCKAY-UHFFFAOYSA-N
MW416.91 g/mol
LogP6.05
Rot. Bonds5

About N-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide

N-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide (PubChem CID 122390002) has the molecular formula C25H21ClN2O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide
PubChem CID122390002
Molecular FormulaC25H21ClN2O2
Molecular Weight416.91 g/mol
Exact Mass416.13
IUPAC NameN-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide
SMILESCOc1ccc(Cc2cccc(C)c2C(=O)Nc2ccc(Cl)c3cccnc23)cc1
InChIInChI=1S/C25H21ClN2O2/c1-16-5-3-6-18(15-17-8-10-19(30-2)11-9-17)23(16)25(29)28-22-13-12-21(26)20-7-4-14-27-24(20)22/h3-14H,15H2,1-2H3,(H,28,29)
InChIKeyZEGIJNHBZJCKAY-UHFFFAOYSA-N
XLogP6.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide
CID 122220942
2-methyl-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 132837940
3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide
CID 116785166
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
N-(5-chloroquinolin-8-yl)-3-hydroxybenzamide
CID 115577672
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
N-(5-bromoquinolin-8-yl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19413235
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926

Frequently Asked Questions

What is the IUPAC name of N-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide?
The IUPAC name of N-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide (CID 122390002) is N-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide.
What is the SMILES notation for N-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide?
The canonical SMILES for N-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide is COc1ccc(Cc2cccc(C)c2C(=O)Nc2ccc(Cl)c3cccnc23)cc1.
What is the InChIKey of N-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide?
The InChIKey is ZEGIJNHBZJCKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2/c1-16-5-3-6-18(15-17-8-10-19(30-2)11-9-17)23(16)25(29)28-22-13-12-21(26)20-7-4-14-27-24(20)22/h3-14H,15H2,1-2H3,(H,28,29).
What are the key properties of N-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide?
N-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide has a molecular weight of 416.91 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide is sourced from PubChem (CID 122390002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).